Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATKQKEVTTFDVQVAEFIRNHKQKGTATDDEINASLVIPFTLDADGIEDLLQRIQDAGISITDNEGNPSARVLSNEEEPELSDEDLIGSTSAKVNDPVRMYLKEIGVVPLLTNEEEKELALAVEAGDIEAKQRLAEANLRLVVSIAKRYVGRGMQFLDLIQEGNMGLMKAVDKFDYSKGFKFSTYATWWIRQAITRAIADQARTIRIPVHMVETINKLVREQRNLLQELGQDPTPEQIAERMDMTPD--KVREILKIAQEPVSLETPIGEEDDSHLGDFIEDEVIENPVDYTTRIVLREQLDEILDTLTDREENVLRLRFGLDDGKMRTLEDVGKVFNVTRERIRQIEAKALRKLR-QPSRSKPLRDFIED 4XLR Chain:L ((107-347)) ----------------------------------------------------------------------------------------------------------------------------------ARQHLIEANLRLVVSIAKKYTGRGLSFLDLIQEGNQGLIRAVEKFEYKRRFKFSTYATWWIRQAINRAIADQARTIRIPVHMVETINKLSRTARQLQQELGREPSYEEIAEAMGPGWDAKRVEETLKIAQEPVSLETPIGDEKDSFYGDFIPDENLPSPVEAAAQSLLSEELEKALSKLSEREAMVLKLRKGLIDGREHTLEEVGAYFGVTRERIRQIENKALRKLKYHESRTRKLRDFLE-

General information: TITO was launched using: RESULT: Template: 4XLR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain L - contact count / total energy / energy per contact / energy per residue : 653 -1078 -1.65 -4.53 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain L : 0.78 3D Compatibility (PKB) : -1.65 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.596

(partial model without unconserved sides chains): PDB file : Tito_4XLR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XLR-query.scw PDB file : Tito_Scwrl_4XLR.pdb: